ChemSpider 2D Image | 1-{[4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl]amino}-1-oxo-2-butanyl 2-(2-phenylvinyl)-4-quinolinecarboxylate | C36H29N3O3S

1-{[4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl]amino}-1-oxo-2-butanyl 2-(2-phenylvinyl)-4-quinolinecarboxylate

  • Molecular FormulaC36H29N3O3S
  • Average mass583.699 Da
  • Monoisotopic mass583.192932 Da
  • ChemSpider ID2649020

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-{[4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl]amino}-1-oxo-2-butanyl 2-(2-phenylvinyl)-4-quinolinecarboxylate [ACD/IUPAC Name]
1-{[4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl]amino}-1-oxo-2-butanyl-2-(2-phenylvinyl)-4-chinolincarboxylat [German] [ACD/IUPAC Name]
2-(2-Phénylvinyl)-4-quinoléinecarboxylate de 1-{[4-(6-méthyl-1,3-benzothiazol-2-yl)phényl]amino}-1-oxo-2-butanyle [French] [ACD/IUPAC Name]
4-Quinolinecarboxylic acid, 2-(2-phenylethenyl)-, 1-[[[4-(6-methyl-2-benzothiazolyl)phenyl]amino]carbonyl]propyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.728
Molar Refractivity: 178.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 10.72
ACD/LogD (pH 5.5): 8.67
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1232662.38
ACD/LogD (pH 7.4): 8.67
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1239233.13
Polar Surface Area: 109 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 447.1±3.0 cm3

Click to predict properties on the Chemicalize site


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